Geometry & MOs

Info

ID:	375368
PubChem CID:	131500112
Reduced:	NOF2H2C4 (2)
Stoich.:	ABC2D2E4 (2)
Weight, g/mol:	236.02089
ΔH_f, kcal/mol:	-226.13
Dipole, Da:	4.99
IP(EA), eV:	-9.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-2-oxo-6-(trifluoromethoxy)-1H-pyridin-4-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(NC(=C(C1=O)F)OC(F)(F)F)CC#N

DOS

IR

Vibrations